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Substance Name: Isonipecotic acid, 1-(3-(10,11-dihydro-5-dibenz(b,f)azepinyl)propyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 14187-10-1
InChIKey: BNWXOUZTYWIUBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-N2-O2.Cl-H

Molecular Weight

  • 505.098
 
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Names and Synonyms

  • Isonipecotic acid, 1-(3-(10,11-dihydro-5-dibenz(b,f)azepinyl)propyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 14187-10-1

System Generated Number

  • 0014187101

Molecular Formulas

Molecular Formula

  • C31-H36-N2-O2.Cl-H

Molecular Formula Fragments

  • C31-H36-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H36N2O2.ClH/c1-2-35-30(34)31(27-13-4-3-5-14-27)19-23-32(24-20-31)21-10-22-33-28-15-8-6-11-25(28)17-18-26-12-7-9-16-29(26)33;/h3-9,11-16H,2,10,17-24H2,1H3;1H

InChIKey

BNWXOUZTYWIUBX-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CCCN2c3c(CCc4c2cccc4)cccc3)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.
mouse LD50 oral 850mg/kg (850mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.